Geometry & MOs

Info

ID:	179288
PubChem CID:	76461401
Reduced:	OSN3C25H31 (1)
Stoich.:	ABC3D25E31 (1)
Weight, g/mol:	405.988653
ΔH_f, kcal/mol:	8.85
Dipole, Da:	1.0
IP(EA), eV:	-8.38(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-2-(2-chloroquinolin-3-yl)-4-oxo-1-phosphonobut-2-enyl]phosphonic acid

Drug info:

PubChemData

Smile

CC(C)C1CSC(=N1)C2=CC=CC=C2NC3=CC=CC=C3C4=NC(CO4)C(C)(C)C

DOS

IR

Vibrations